Np mrd loader

Showing NP-Card for Alpha-D-Glucose (NP0000750)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2006-08-12 19:09:59 UTC
Updated at2024-09-17 15:42:54 UTC
NP-MRD IDNP0000750
Secondary Accession NumbersNone
Natural Product Identification
Common NameAlpha-D-Glucose
DescriptionAlpha-D-Glucose, also known as alpha-dextrose or alpha-D-GLC, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Alpha-D-Glucose exists in all living species, ranging from bacteria to humans. Outside of the human body, alpha-D-Glucose has been detected, but not quantified in several different foods, such as lemon grass, sourdoughs, mixed nuts, sweet rowanberries, and ginsengs. This could make alpha-D-glucose a potential biomarker for the consumption of these foods. D-Glucopyranose having alpha-configuration at the anomeric centre.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000750 (Alpha-D-Glucose)


  Mrv1652309042000292D          

 12 12  0  0  1  0            999 V2000
   26.2084  -13.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3505  -14.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3505  -16.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2084  -16.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7795  -17.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7795  -14.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2084  -14.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0650  -15.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4940  -15.0290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.0650  -15.8540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4940  -15.8540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.7795  -16.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  8  2  1  1  0  0  0
 10  3  1  1  0  0  0
 11  4  1  1  0  0  0
 12  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
Download

3D MOL for NP0000750 (Alpha-D-Glucose)

HMDB0003345
     RDKit          3D
alpha-D-Glucose
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.0786    1.0102   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -0.1679   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    0.0820   -0.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3866    1.0961   -0.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.5014   -0.3107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4769    2.0677    0.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    0.4082   -0.1376 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7503    0.8697    0.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078   -0.8548    0.4400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1017   -1.8860    0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762   -1.1429   -0.3480 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6897   -2.3038    0.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    1.0737    0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493   -0.9460    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   -0.3764   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    0.3929    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    2.3111   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    2.7350    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730    0.1623   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548    1.3754    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763   -0.6239    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -2.6088   -0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213   -1.2368   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -2.9385   -0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
Download

3D SDF for NP0000750 (Alpha-D-Glucose)


  Mrv1652309042000292D          

 12 12  0  0  1  0            999 V2000
   26.2084  -13.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3505  -14.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3505  -16.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2084  -16.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7795  -17.0915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7795  -14.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2084  -14.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0650  -15.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4940  -15.0290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.0650  -15.8540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4940  -15.8540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.7795  -16.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  8  2  1  1  0  0  0
 10  3  1  1  0  0  0
 11  4  1  1  0  0  0
 12  5  1  6  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000750

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

> <INCHI_KEY>
WQZGKKKJIJFFOK-DVKNGEFBSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.092615901859798

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-2.932539218

> <ALOGPS_LOGS>
0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.687538461190869

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.298101552080594

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810792051782764

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
35.923399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.82e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-glucose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000750 (Alpha-D-Glucose)

HMDB0003345
     RDKit          3D
alpha-D-Glucose
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.0786    1.0102   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -0.1679   -0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9364    0.0820   -0.1888 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3866    1.0961   -0.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7875    1.5014   -0.3107 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4769    2.0677    0.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    0.4082   -0.1376 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7503    0.8697    0.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078   -0.8548    0.4400 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1017   -1.8860    0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762   -1.1429   -0.3480 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6897   -2.3038    0.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834    1.0737    0.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493   -0.9460    0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   -0.3764   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    0.3929    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    2.3111   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606    2.7350    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730    0.1623   -1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548    1.3754    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763   -0.6239    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -2.6088   -0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213   -1.2368   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -2.9385   -0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
Download

PDB for NP0000750 (Alpha-D-Glucose)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0      48.922 -25.744   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      43.588 -27.284   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      43.588 -30.364   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      48.922 -30.364   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      46.255 -31.904   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      46.255 -27.284   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      48.922 -27.284   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      44.921 -28.054   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      47.589 -28.054   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      44.921 -29.594   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      47.589 -29.594   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      46.255 -30.364   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3   10                                                            
CONECT    4   11                                                            
CONECT    5   12                                                            
CONECT    6    8    9                                                       
CONECT    7    1    9                                                       
CONECT    8    2    6   10                                                  
CONECT    9    6    7   11                                                  
CONECT   10    3    8   12                                                  
CONECT   11    4    9   12                                                  
CONECT   12    5   10   11                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for NP0000750 (Alpha-D-Glucose)

COMPND    HMDB0003345
HETATM    1  O1  UNL     1       3.079   1.010  -0.150  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.384  -0.168  -0.448  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.936   0.082  -0.189  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.387   1.096  -0.936  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.787   1.501  -0.311  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.477   2.068   0.937  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.787   0.408  -0.138  1.00  0.00           C  
HETATM    8  O4  UNL     1      -2.750   0.870   0.786  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.208  -0.855   0.440  1.00  0.00           C  
HETATM   10  O5  UNL     1      -2.102  -1.886   0.381  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.076  -1.143  -0.348  1.00  0.00           C  
HETATM   12  O6  UNL     1       0.690  -2.304   0.081  1.00  0.00           O  
HETATM   13  H1  UNL     1       3.083   1.074   0.855  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.749  -0.946   0.221  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.579  -0.376  -1.528  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.845   0.393   0.891  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.257   2.311  -0.903  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.261   2.735   0.829  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.273   0.162  -1.085  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.255   1.375   1.477  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.876  -0.624   1.475  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.889  -2.609  -0.232  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.221  -1.237  -1.419  1.00  0.00           H  
HETATM   24  H12 UNL     1       0.814  -2.939  -0.688  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4   11   16
CONECT    4    5
CONECT    5    6    7   17
CONECT    6   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   23
CONECT   12   24
END
Download

SMILES for NP0000750 (Alpha-D-Glucose)

OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Download

INCHI for NP0000750 (Alpha-D-Glucose)

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Download
View in JSmolView NMR Assignments
Synonyms
ValueSource
alpha-D-GLCChEBI
alpha-DextroseChEBI
WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/ChEBI
a-D-GLCGenerator
Α-D-GLCGenerator
a-DextroseGenerator
Α-dextroseGenerator
a-D-GlucoseGenerator
Α-D-glucoseGenerator
a-D-GlucopyranoseHMDB
a-GlucoseHMDB
alpha-D-GlucopyranoseHMDB
alpha-delta-GlucopyranoseHMDB
alpha-delta-GlucoseHMDB
alpha-GlucoseHMDB
HexopyranoseHMDB
Anhydrous dextroseHMDB
D GlucoseHMDB
D-GlucoseHMDB
DextroseHMDB
Dextrose, anhydrousHMDB
GlucoseHMDB
Glucose monohydrateHMDB
Glucose, (DL)-isomerHMDB
Glucose, (L)-isomerHMDB
Glucose, (alpha-D)-isomerHMDB
Glucose, (beta-D)-isomerHMDB
L GlucoseHMDB
L-GlucoseHMDB
Monohydrate, glucoseHMDB
1,3-alpha-D-GlucanHMDB
alpha-1,3-GlucanHMDB
alpha-D-GlucopyranosideHMDB
Chemical FormulaC6H12O6
Average Mass180.1559 Da
Monoisotopic Mass180.06339 Da
IUPAC Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameα-glucose
CAS Registry Number492-62-6
SMILES
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChI KeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-01-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Actinidia chinensisFooDB
Aesculus chinensisLOTUS Database
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anabaena sp.KNApSAcK Database
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaKNApSAcK Database
Arachis hypogaeaFooDB
Arctium lappaFooDB
Aristolochia pubescensKNApSAcK Database
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papayaKNApSAcK Database
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Catharanthus roseusKNApSAcK Database
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Clerodendrum mandarinorumLOTUS Database
Cocos nuciferaFooDB
Coffea arabicaKNApSAcK Database
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma domesticaKNApSAcK Database
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daphnia pulexLOTUS Database
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Detarium microcarpumLOTUS Database
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Euphorbia plumerioidesLOTUS Database
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lagopus mutaFooDB
Lagotis brevitubaLOTUS Database
Lamiophlomis rotataLOTUS Database
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Marsdenia tomentosaKNApSAcK Database
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaKNApSAcK Database
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Morinda citrifoliaLOTUS Database
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Mus musculusLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Numida meleagrisFooDB
Nuphar luteaFooDB
Nyctanthes arbor-tristis Linn.KNApSAcK Database
Ocimum basilicumFooDB
OdocoileusFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaKNApSAcK Database
Ovis ariesFooDB
Pachyrhizus erosusFooDB
Paeonia peregrinaKNApSAcK Database
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllanthus sellowianusKNApSAcK Database
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
Pimpinella anisum L.KNApSAcK Database
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Piper retrofractum Vahl.KNApSAcK Database
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Primula verisLOTUS Database
Prunus armeniacaFooDB
Prunus aviumKNApSAcK Database
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Pseudostellaria heterophyllaLOTUS Database
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumKNApSAcK Database
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rauvolfia serpentinaLOTUS Database
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
Ruellia patulaLOTUS Database
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salmonella entericaLOTUS Database
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rhyacophilaLOTUS Database
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiKNApSAcK Database
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumKNApSAcK Database
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Withania somniferaLOTUS Database
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Species Where Detected
Species NameSourceReference
Homo sapiens (Serum)KNApSAcK Database
Homo sapiens (Urine)KNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point146 °CNot Available
Boiling Point410.80 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility500 mg/mL at 20 °CNot Available
LogP-1.880 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP-2.6ALOGPS
logP-2.9ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.92 m³·mol⁻¹ChemAxon
Polarizability16.09 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0003345
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB011829
KNApSAcK IDC00001122
Chemspider ID71358
KEGG Compound IDC00267
BioCyc IDALPHA-GLUCOSE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6897
PubChem Compound79025
PDB IDNot Available
ChEBI ID17925
Good Scents IDrw1098701
References
General References
  1. Onyshchenko AM, Korobkova KS, Kovalenko NK, Kasumova SO, Skrypal' IH: [The role of the carbohydrate composition of the glycocalyx in some species of lactobacilli in the manifestation of their adhesive properties]. Mikrobiol Z. 1999 Nov-Dec;61(6):22-8. [PubMed:10733280 ]
  2. Georgiou S, Pasmatzi E, Monastirli A, Sakkis T, Alachioti S, Tsambaos D: Age-related alterations in the carbohydrate residue composition of the cell surface in the unexposed normal human epidermis. Gerontology. 2005 May-Jun;51(3):155-60. [PubMed:15832040 ]
  3. Skrypal' IH, Tokovenko IP, Malynovs'ka LP: [Carbohydrate receptors for Mycoplasma fermentans adhesion on human epithelial tissues]. Mikrobiol Z. 1995 Jul-Aug;57(4):17-22. [PubMed:8548067 ]
  4. Dalmau SR, Freitas CS: Sugar inhibition of the lectin jacalin: comparison of three assays. Braz J Med Biol Res. 1989;22(5):601-10. [PubMed:2620170 ]
  5. Van Cleve JW: Improved preparation of methyl 4,6-O-benzylidene-alpha-d-glucopyranoside. Carbohydr Res. 1971 Apr;17(2):461-4. doi: 10.1016/s0008-6215(00)82557-4. [PubMed:5150910 ]
  6. Kaushal T, Tinsley L, Volkening LK, Ambler-Osborn L, Laffel L: Improvement in Mean CGM Glucose in Young People with Type 1 Diabetes During 1 Year of the COVID-19 Pandemic. Diabetes Technol Ther. 2021 Oct 13. doi: 10.1089/dia.2021.0258. [PubMed:34524008 ]